1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C25H25N7 — CID 137087619

IUPAC1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cnc2cc(-c3[nH]nc4ncc(-c5cncc(CNCC6CCCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C25H25N7/c1-2-5-16(4-1)11-26-12-17-8-18(14-27-13-17)19-9-20-24(31-32-25(20)29-15-19)23-10-22-21(30-23)6-3-7-28-22/h3,6-10,13-16,26,30H,1-2,4-5,11-12H2,(H,29,31,32)
InChIKeyTUYNCPJLFMCOMG-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.84
Rot. Bonds6

About 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137087619) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
PubChem CID137087619
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
SMILESc1cnc2cc(-c3[nH]nc4ncc(-c5cncc(CNCC6CCCC6)c5)cc34)[nH]c2c1
InChIInChI=1S/C25H25N7/c1-2-5-16(4-1)11-26-12-17-8-18(14-27-13-17)19-9-20-24(31-32-25(20)29-15-19)23-10-22-21(30-23)6-3-7-28-22/h3,6-10,13-16,26,30H,1-2,4-5,11-12H2,(H,29,31,32)
InChIKeyTUYNCPJLFMCOMG-UHFFFAOYSA-N
XLogP4.84
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine with MolForge

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Related Compounds

1-cyclopentyl-N-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137041122
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
1-cyclopentyl-N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137311974
1-phenyl-N-[[3-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]methanamine
CID 137087622
3-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]-5-fluorophenol
CID 137040818
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041146
3-methyl-N-[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137041175
1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137056582
1-cyclopentyl-N-[[5-[3-[4-(5-ethylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 139418250
N-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 145245443
3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041218
N-[[3-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methyl]ethanamine
CID 137087602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137087619) is 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is c1cnc2cc(-c3[nH]nc4ncc(-c5cncc(CNCC6CCCC6)c5)cc34)[nH]c2c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is TUYNCPJLFMCOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-2-5-16(4-1)11-26-12-17-8-18(14-27-13-17)19-9-20-24(31-32-25(20)29-15-19)23-10-22-21(30-23)6-3-7-28-22/h3,6-10,13-16,26,30H,1-2,4-5,11-12H2,(H,29,31,32).
What are the key properties of 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 423.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137087619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).